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824395-03-1 | 1H-Benzimidazole, 2-[2-(1H-1,2,4-triazol-3-yl)phenyl]-
CAS No: 824395-03-1 Catalog No: AG0051MO MDL No:
Product Description
Catalog Number:
AG0051MO
Chemical Name:
1H-Benzimidazole, 2-[2-(1H-1,2,4-triazol-3-yl)phenyl]-
CAS Number:
824395-03-1
Molecular Formula:
C15H11N5
Molecular Weight:
261.2813
IUPAC Name:
2-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1H-benzimidazole
InChI:
InChI=1S/C15H11N5/c1-2-6-11(10(5-1)14-16-9-17-20-14)15-18-12-7-3-4-8-13(12)19-15/h1-9H,(H,18,19)(H,16,17,20)
InChI Key:
JIVKLZCNXILVQA-UHFFFAOYSA-N
SMILES:
c1ccc(c(c1)c1n[nH]cn1)c1nc2c([nH]1)cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.288g/mol
Monoisotopic Mass:
261.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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